1-Phenyl-2,4-pentadiyne
PubChem CID: 11018996
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| Compound Synonyms | 2,4-pentadienylbenzene, 1-phenyl-2,4-pentadiene, 1-Phenyl-2,4-pentadiyne, (2E)-2,4-pentadienylbenzene, XIKDQDXWYVAHNF-HWKANZROSA-N, [(2E)-penta-2,4-dienyl]-benzene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(2E)-penta-2,4-dienyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C11H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XIKDQDXWYVAHNF-HWKANZROSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -2.659 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.925 |
| Compound Name | 1-Phenyl-2,4-pentadiyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 144.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3778817636363634 |
| Inchi | InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h2-7,9-10H,1,8H2/b5-3+ |
| Smiles | C=C/C=C/CC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients